General Information of the Compound
| Compound ID |
CP0389623
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[(6-chloro-1-benzofuran-5-yl)oxy]pyridin-3-yl]-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20ClN3O3
|
||||||||||||||||||
| Molecular Weight |
445.906
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc2occc2cc1Oc1ccncc1C(=O)N1CCN(C2CC2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20ClN3O3/c26-19-14-23-16(8-12-31-23)13-24(19)32-22-7-9-27-15-18(22)25(30)29-11-10-28(17-5-6-17)20-3-1-2-4-21(20)29/h1-4,7-9,12-15,17H,5-6,10-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYMILKMRNOZXPJ-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02509, G-protein coupled bile acid receptor 1
Protein ID: PT04975, G-protein coupled bile acid receptor 1